#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2be6 s THR 5 N 0.00 4.20 0.25 1.96 -4.23 -1.26 -4.99 115.64 111.58 2be6 s THR 5 Ca 0.00 -1.03 -0.04 0.00 -1.18 0.00 0.00 61.69 59.43 2be6 s THR 5 Cb 0.00 -3.45 0.23 0.00 1.34 0.00 0.00 72.50 70.62 2be6 s THR 5 CO 0.00 -0.19 1.85 1.05 -0.54 0.00 0.00 174.62 176.80 2be6 h GLU 6 N 0.97 0.97 -0.22 3.99 9.09 -2.05 -1.56 114.58 125.78 2be6 h GLU 6 Ca -0.47 -0.06 -0.14 0.00 0.05 0.00 0.00 59.36 58.75 2be6 h GLU 6 Cb 1.25 -0.22 -0.01 0.00 -1.65 0.00 0.00 28.75 28.12 2be6 h GLU 6 CO 0.54 0.64 -0.45 1.05 0.05 0.00 0.00 179.01 180.85 2be6 h GLU 7 N 1.00 0.55 -0.52 1.06 9.09 -1.98 -1.60 114.58 122.17 2be6 h GLU 7 Ca 0.40 -0.30 -0.01 0.00 0.05 0.00 0.00 59.36 59.50 2be6 h GLU 7 Cb 0.22 0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.31 2be6 h GLU 7 CO -0.19 0.89 0.28 1.96 0.05 0.00 0.00 179.01 182.00 2be6 h GLN 8 N 0.44 0.73 -0.60 1.06 4.20 -1.83 0.37 115.11 119.49 2be6 h GLN 8 Ca 0.03 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.66 2be6 h GLN 8 Cb 0.96 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 2be6 h GLN 8 CO 0.09 0.58 0.38 0.82 -0.67 0.00 0.00 178.83 180.03 2be6 h ILE 9 N 0.70 1.12 -0.65 2.54 2.04 -1.20 -1.45 117.51 120.60 2be6 h ILE 9 Ca 0.18 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2be6 h ILE 9 Cb 0.07 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 2be6 h ILE 9 CO -0.03 0.14 0.34 0.00 0.00 0.00 0.00 178.15 178.61 2be6 h ALA 10 N 1.24 0.83 -0.18 1.87 0.00 -0.88 -1.61 119.26 120.53 2be6 h ALA 10 Ca 0.23 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2be6 h ALA 10 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2be6 h ALA 10 CO -0.07 0.36 -0.11 0.93 0.00 0.00 0.00 179.25 180.37 2be6 h GLU 11 N 0.89 0.28 -0.06 0.00 5.08 -0.63 -2.82 114.58 117.31 2be6 h GLU 11 Ca 0.23 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.36 2be6 h GLU 11 Cb 0.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2be6 h GLU 11 CO -0.03 0.40 -0.68 0.74 -1.00 0.00 0.00 179.01 178.44 2be6 h PHE 12 N 0.27 0.38 0.00 4.33 0.05 -0.68 -2.86 116.94 118.43 2be6 h PHE 12 Ca 0.06 -0.16 -0.02 0.00 3.82 0.00 0.00 57.97 61.67 2be6 h PHE 12 Cb 0.36 -0.06 -0.00 0.00 2.00 0.00 0.00 35.95 38.25 2be6 h PHE 12 CO 0.01 0.88 -0.09 -0.22 -0.18 0.00 0.00 178.31 178.70 2be6 h LYS 13 N 0.20 0.00 0.00 1.51 3.64 -1.07 -0.29 116.57 120.56 2be6 h LYS 13 Ca -0.02 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 2be6 h LYS 13 Cb 1.22 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2be6 h LYS 13 CO 0.11 0.09 -0.65 0.93 -2.27 0.00 0.00 179.45 177.66 2be6 h GLU 14 N 0.00 0.00 -0.07 1.90 5.08 -1.34 -2.54 114.58 117.60 2be6 h GLU 14 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 2be6 h GLU 14 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2be6 h GLU 14 CO 0.01 0.65 -0.83 0.00 -1.00 0.00 0.00 179.01 177.84 2be6 h ALA 15 N 1.35 0.40 -0.53 3.43 0.00 -1.21 -3.18 119.26 119.53 2be6 h ALA 15 Ca -0.01 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 2be6 h ALA 15 Cb 1.36 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2be6 h ALA 15 CO 0.08 0.75 0.21 0.35 0.00 0.00 0.00 179.25 180.64 2be6 h PHE 16 N 0.35 0.76 -0.11 0.00 3.04 -0.94 -2.92 116.94 117.12 2be6 h PHE 16 Ca -0.06 -0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.72 2be6 h PHE 16 Cb 1.45 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.71 2be6 h PHE 16 CO 0.07 0.59 -0.53 0.77 -2.02 0.00 0.00 178.31 177.19 2be6 h SER 17 N 0.75 0.34 -0.95 0.41 0.02 -1.47 0.80 113.55 113.46 2be6 h SER 17 Ca 0.18 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2be6 h SER 17 Cb 0.14 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 2be6 h SER 17 CO -0.02 0.81 0.59 0.25 -1.14 0.00 0.00 176.83 177.32 2be6 h LEU 18 N 0.24 1.14 -0.05 5.07 5.85 -1.50 -2.93 115.31 123.13 2be6 h LEU 18 Ca 0.01 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 2be6 h LEU 18 Cb 1.01 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2be6 h LEU 18 CO 0.09 0.86 -0.25 -0.26 -0.34 0.00 0.00 178.44 178.53 2be6 h PHE 19 N 1.31 0.35 -0.14 1.25 -1.00 -1.43 -3.38 116.94 113.90 2be6 h PHE 19 Ca 0.34 -0.16 -0.70 0.00 2.81 0.00 0.00 57.97 60.26 2be6 h PHE 19 Cb -0.08 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.39 2be6 h PHE 19 CO 0.00 0.88 2.97 -3.47 -1.61 0.00 0.00 178.31 177.09 2be6 n ASP 20 N -4.50 4.01 -0.36 2.17 2.03 0.28 -4.62 116.55 115.56 2be6 n ASP 20 Ca -0.09 -2.85 0.05 0.00 0.52 0.00 0.00 54.79 52.43 2be6 n ASP 20 Cb 0.47 -1.67 0.21 0.00 -0.72 0.00 0.00 41.12 39.42 2be6 n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2be6 h LYS 21 N 6.29 0.99 -0.62 -0.67 1.79 -1.75 -2.13 116.57 120.47 2be6 h LYS 21 Ca 0.55 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 2be6 h LYS 21 Cb 0.68 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2be6 h LYS 21 CO 1.82 0.65 0.00 -0.40 -1.08 0.00 0.00 179.45 180.44 2be6 n ASP 22 N -4.61 3.32 0.00 0.86 5.68 -1.26 -4.96 116.55 115.59 2be6 n ASP 22 Ca 0.17 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 2be6 n ASP 22 Cb 0.30 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 2be6 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2be6 n GLY 23 N 1.49 0.18 0.32 6.12 0.00 -0.80 -4.88 105.19 107.61 2be6 n GLY 23 Ca 0.21 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 2be6 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2be6 n ASP 24 N -0.63 0.95 0.00 1.61 3.85 -1.26 -4.92 116.55 116.15 2be6 n ASP 24 Ca 0.00 -1.65 0.00 0.00 -0.71 0.00 0.00 54.79 52.43 2be6 n ASP 24 Cb 0.31 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 40.01 2be6 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2be6 n GLY 25 N 0.95 1.81 3.17 6.12 0.00 -1.26 -5.06 105.19 110.92 2be6 n GLY 25 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 2be6 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2be6 s THR 26 N -2.39 1.22 -0.15 2.61 -4.23 -1.26 -3.92 115.64 107.52 2be6 s THR 26 Ca 0.00 -1.10 -0.16 0.00 -1.18 0.00 0.00 61.69 59.25 2be6 s THR 26 Cb 0.00 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.69 2be6 s THR 26 CO 0.00 -0.01 0.38 -0.63 -0.54 0.00 0.00 174.62 173.82 2be6 s ILE 27 N -0.93 5.24 0.41 2.99 1.01 0.15 -4.81 121.20 125.26 2be6 s ILE 27 Ca 0.02 0.73 0.08 0.00 0.00 0.00 0.00 60.65 61.47 2be6 s ILE 27 Cb -0.08 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 2be6 s ILE 27 CO 0.02 0.34 0.46 0.42 0.00 0.00 0.00 174.94 176.17 2be6 s THR 28 N 0.70 2.93 0.40 2.92 -4.23 -1.26 -1.49 115.64 115.61 2be6 s THR 28 Ca 0.20 -1.18 0.06 0.00 -1.18 0.00 0.00 61.69 59.59 2be6 s THR 28 Cb -0.14 -3.03 0.27 0.00 1.34 0.00 0.00 72.50 70.94 2be6 s THR 28 CO 0.07 -0.02 2.04 0.71 -0.54 0.00 0.00 174.62 176.88 2be6 h THR 29 N 0.88 1.10 -0.43 3.99 1.35 -1.89 -1.01 112.91 116.89 2be6 h THR 29 Ca -0.41 -0.21 -0.07 0.00 -0.55 0.00 0.00 66.41 65.17 2be6 h THR 29 Cb 1.27 0.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.09 2be6 h THR 29 CO 0.52 0.11 0.01 0.11 -0.25 0.00 0.00 175.52 176.02 2be6 h LYS 30 N 0.62 0.76 -0.23 4.72 1.57 -1.97 -0.95 116.57 121.10 2be6 h LYS 30 Ca 0.19 -0.24 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 2be6 h LYS 30 Cb -0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2be6 h LYS 30 CO -0.04 0.83 -0.38 0.93 -0.57 0.00 0.00 179.45 180.21 2be6 h GLU 31 N 0.60 0.51 -0.51 3.15 5.08 -1.79 -2.43 114.58 119.19 2be6 h GLU 31 Ca 0.12 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2be6 h GLU 31 Cb 0.48 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2be6 h GLU 31 CO 0.02 0.82 0.22 1.25 -1.00 0.00 0.00 179.01 180.32 2be6 h LEU 32 N 0.43 0.69 -1.53 1.33 6.46 -1.12 -2.63 115.31 118.94 2be6 h LEU 32 Ca 0.04 -0.16 0.04 0.00 -0.12 0.00 0.00 57.88 57.68 2be6 h LEU 32 Cb 0.86 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.58 2be6 h LEU 32 CO 0.07 0.66 0.37 1.23 -0.62 0.00 0.00 178.44 180.15 2be6 h GLY 33 N 0.68 0.71 1.81 3.75 0.00 -0.94 -0.63 103.07 108.45 2be6 h GLY 33 Ca 0.17 -0.24 -0.16 0.00 0.00 0.00 0.00 47.33 47.10 2be6 h GLY 33 CO -0.02 0.20 -0.69 -0.84 0.00 0.00 0.00 176.54 175.19 2be6 h THR 34 N 0.61 1.43 0.01 4.70 2.02 -1.18 -2.25 112.91 118.26 2be6 h THR 34 Ca 0.23 -2.22 -0.09 0.00 0.77 0.00 0.00 66.41 65.10 2be6 h THR 34 Cb 0.14 2.18 0.01 0.00 -1.74 0.00 0.00 68.15 68.73 2be6 h THR 34 CO -0.06 0.65 -0.36 0.58 0.37 0.00 0.00 175.52 176.70 2be6 h VAL 35 N 0.13 1.54 -0.88 3.16 2.07 -1.11 -3.07 116.25 118.09 2be6 h VAL 35 Ca -0.02 -2.06 -0.02 0.00 0.82 0.00 0.00 66.70 65.42 2be6 h VAL 35 Cb 1.24 2.82 -0.04 0.00 -1.52 0.00 0.00 31.29 33.79 2be6 h VAL 35 CO 0.10 0.57 0.46 0.24 0.02 0.00 0.00 177.57 178.97 2be6 h MET 36 N -0.44 1.24 -0.43 1.57 2.07 -1.18 -2.26 114.93 115.50 2be6 h MET 36 Ca -0.05 -0.16 -0.01 0.00 -2.07 0.00 0.00 59.70 57.42 2be6 h MET 36 Cb 1.13 -0.24 -0.02 0.00 -1.87 0.00 0.00 31.60 30.60 2be6 h MET 36 CO 0.07 0.92 0.25 0.00 1.07 0.00 0.00 176.91 179.22 2be6 h ARG 37 N 1.24 0.59 -0.90 1.72 3.08 -1.48 -1.75 114.38 116.89 2be6 h ARG 37 Ca 0.31 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.35 2be6 h ARG 37 Cb 0.06 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 2be6 h ARG 37 CO -0.05 0.46 0.59 0.66 -1.07 0.00 0.00 179.97 180.56 2be6 h SER 38 N 0.57 0.93 0.00 7.04 4.64 -1.35 0.40 113.55 125.78 2be6 h SER 38 Ca 0.15 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2be6 h SER 38 Cb 0.03 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2be6 h SER 38 CO -0.03 0.62 0.00 0.18 -0.87 0.00 0.00 176.83 176.73 2be6 n LEU 39 N -4.47 0.11 0.00 5.97 4.77 -0.89 -4.58 117.00 117.91 2be6 n LEU 39 Ca 0.13 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2be6 n LEU 39 Cb 0.15 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2be6 n LEU 39 CO 0.34 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2be6 n GLY 40 N 0.19 0.74 3.98 -0.72 0.00 0.14 -4.85 105.19 104.67 2be6 n GLY 40 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2be6 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2be6 s GLN 41 N -0.37 3.29 -0.55 1.61 -0.21 -0.69 -4.99 119.66 117.76 2be6 s GLN 41 Ca 0.00 -0.88 0.07 0.00 0.02 0.00 0.00 55.36 54.57 2be6 s GLN 41 Cb 0.00 -2.85 0.25 0.00 1.00 0.00 0.00 33.01 31.40 2be6 s GLN 41 CO 0.00 0.27 0.65 0.09 -2.12 0.00 0.00 175.29 174.18 2be6 n ASN 42 N -1.51 2.33 -4.79 5.90 4.13 -1.26 -3.73 115.26 116.33 2be6 n ASN 42 Ca -0.05 -3.14 -0.37 0.00 1.68 0.00 0.00 54.58 52.70 2be6 n ASN 42 Cb 0.57 -0.66 -0.06 0.00 -1.54 0.00 0.00 39.78 38.09 2be6 n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2be6 s PRO 43 N -1.92 4.46 0.75 3.52 0.04 -1.26 -5.06 135.00 135.53 2be6 s PRO 43 Ca 0.37 1.15 -0.10 0.00 0.04 0.00 0.00 61.00 62.46 2be6 s PRO 43 Cb 0.15 -2.84 0.05 0.00 0.04 0.00 0.00 34.50 31.90 2be6 s PRO 43 CO -0.06 0.33 1.11 0.95 0.04 0.00 0.00 177.00 179.37 2be6 s THR 44 N -1.57 2.58 0.38 1.26 -4.23 -1.26 -4.84 115.64 107.96 2be6 s THR 44 Ca 0.47 0.08 0.10 0.00 -1.18 0.00 0.00 61.69 61.16 2be6 s THR 44 Cb -0.18 -3.16 0.33 0.00 1.34 0.00 0.00 72.50 70.82 2be6 s THR 44 CO 0.23 -0.21 1.90 -0.08 -0.54 0.00 0.00 174.62 175.93 2be6 h GLU 45 N -0.80 0.60 -0.22 3.99 4.57 -1.98 0.35 114.58 121.11 2be6 h GLU 45 Ca -0.45 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 57.55 2be6 h GLU 45 Cb 1.30 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 2be6 h GLU 45 CO 0.64 0.40 -0.45 0.00 -1.18 0.00 0.00 179.01 178.42 2be6 h ALA 46 N 1.61 0.81 -0.26 2.92 0.00 -1.98 0.20 119.26 122.56 2be6 h ALA 46 Ca 0.39 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 2be6 h ALA 46 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2be6 h ALA 46 CO -0.16 0.66 -0.61 0.93 0.00 0.00 0.00 179.25 180.07 2be6 h GLU 47 N 0.44 0.86 -0.83 0.00 5.08 -1.66 -0.96 114.58 117.52 2be6 h GLU 47 Ca 0.03 -0.59 -0.04 0.00 -1.00 0.00 0.00 59.36 57.76 2be6 h GLU 47 Cb 0.96 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 2be6 h GLU 47 CO 0.09 1.21 0.36 -0.07 -1.00 0.00 0.00 179.01 179.60 2be6 h LEU 48 N 0.64 1.12 -0.46 1.33 3.38 -0.80 -2.34 115.31 118.18 2be6 h LEU 48 Ca -0.00 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.65 2be6 h LEU 48 Cb 1.22 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2be6 h LEU 48 CO 0.13 0.96 -0.51 -0.61 0.09 0.00 0.00 178.44 178.51 2be6 h GLN 49 N 1.19 0.70 -0.69 1.13 5.75 -0.41 -2.12 115.11 120.67 2be6 h GLN 49 Ca 0.28 -0.42 0.06 0.00 -0.15 0.00 0.00 58.65 58.42 2be6 h GLN 49 Cb 0.17 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.70 2be6 h GLN 49 CO -0.03 1.04 0.38 -0.44 -2.65 0.00 0.00 178.83 177.13 2be6 h ASP 50 N 0.55 0.56 -0.48 -0.69 3.32 -1.07 -0.82 116.42 117.79 2be6 h ASP 50 Ca 0.02 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 2be6 h ASP 50 Cb 1.07 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 2be6 h ASP 50 CO 0.10 0.36 0.06 0.24 -1.72 0.00 0.00 179.24 178.29 2be6 h MET 51 N 0.69 0.80 -0.26 3.56 2.86 -1.17 -2.67 114.93 118.75 2be6 h MET 51 Ca 0.31 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2be6 h MET 51 Cb 0.21 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2be6 h MET 51 CO -0.19 0.81 0.12 0.82 1.06 0.00 0.00 176.91 179.54 2be6 h ILE 52 N 0.67 1.15 -0.85 -1.22 1.08 -1.26 -3.09 117.51 113.99 2be6 h ILE 52 Ca 0.14 -0.43 0.15 0.00 -0.39 0.00 0.00 64.86 64.33 2be6 h ILE 52 Cb 0.41 0.95 -0.06 0.00 -3.07 0.00 0.00 36.82 35.05 2be6 h ILE 52 CO 0.01 0.15 0.55 0.78 -0.69 0.00 0.00 178.15 178.96 2be6 h ASN 53 N 0.29 0.57 -0.40 1.72 2.35 -0.92 0.28 115.58 119.46 2be6 h ASN 53 Ca 0.09 0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.78 2be6 h ASN 53 Cb 0.13 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2be6 h ASN 53 CO -0.01 0.29 -0.13 -0.33 -1.65 0.00 0.00 177.43 175.59 2be6 h GLU 54 N 0.60 0.81 0.05 0.81 3.07 -1.40 -3.28 114.58 115.24 2be6 h GLU 54 Ca 0.42 -0.33 -0.29 0.00 -0.50 0.00 0.00 59.36 58.66 2be6 h GLU 54 Cb 0.76 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.61 2be6 h GLU 54 CO -0.18 0.95 -1.59 0.28 -1.40 0.00 0.00 179.01 177.08 2be6 h VAL 55 N 0.62 1.04 -0.84 3.13 2.07 -1.32 -3.43 116.25 117.51 2be6 h VAL 55 Ca 0.10 -2.79 -0.46 0.00 0.82 0.00 0.00 66.70 64.37 2be6 h VAL 55 Cb 0.67 2.60 -0.07 0.00 -1.52 0.00 0.00 31.29 32.97 2be6 h VAL 55 CO 0.05 0.71 1.24 -0.62 0.02 0.00 0.00 177.57 178.97 2be6 s ASP 56 N -6.58 5.83 0.41 0.57 3.68 0.91 -4.75 116.67 116.73 2be6 s ASP 56 Ca -0.07 -1.31 0.14 0.00 2.13 0.00 0.00 52.55 53.44 2be6 s ASP 56 Cb 0.08 -2.57 0.86 0.00 -1.45 0.00 0.00 42.92 39.83 2be6 s ASP 56 CO 0.83 -2.15 1.89 0.00 0.13 0.00 0.00 175.17 175.87 2be6 h ALA 57 N 10.08 1.48 -0.01 3.66 0.00 -1.85 -2.95 119.26 129.68 2be6 h ALA 57 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2be6 h ALA 57 Cb 0.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2be6 h ALA 57 CO 1.32 0.37 -0.59 -0.40 0.00 0.00 0.00 179.25 179.95 2be6 n ASP 58 N -4.13 1.39 -0.41 0.00 3.85 -1.26 -4.99 116.55 110.99 2be6 n ASP 58 Ca -0.02 -1.12 -0.05 0.00 -0.71 0.00 0.00 54.79 52.89 2be6 n ASP 58 Cb 0.34 0.54 -0.02 0.00 -1.35 0.00 0.00 41.12 40.63 2be6 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2be6 n GLY 59 N 1.44 0.72 0.16 6.12 0.00 -1.11 -4.91 105.19 107.60 2be6 n GLY 59 Ca 0.08 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.31 2be6 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2be6 n ASN 60 N 1.15 0.47 0.00 1.61 6.94 -1.26 -4.90 115.26 119.27 2be6 n ASN 60 Ca -0.05 -1.93 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 2be6 n ASN 60 Cb 0.20 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 2be6 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2be6 n GLY 61 N 0.67 0.58 3.17 4.83 0.00 -1.26 -5.03 105.19 108.16 2be6 n GLY 61 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2be6 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2be6 s THR 62 N -2.02 0.11 -0.26 2.61 -4.23 -1.26 -4.72 115.64 105.87 2be6 s THR 62 Ca 0.00 -1.80 -0.07 0.00 -1.18 0.00 0.00 61.69 58.64 2be6 s THR 62 Cb 0.00 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.89 2be6 s THR 62 CO 0.00 -0.51 0.07 -0.63 -0.54 0.00 0.00 174.62 173.01 2be6 s ILE 63 N -4.02 4.14 0.55 2.99 1.01 -0.56 -4.64 121.20 120.68 2be6 s ILE 63 Ca 0.20 -0.35 0.07 0.00 0.00 0.00 0.00 60.65 60.58 2be6 s ILE 63 Cb 0.07 -3.00 0.07 0.00 0.01 0.00 0.00 42.46 39.61 2be6 s ILE 63 CO -0.00 0.27 0.76 1.51 0.00 0.00 0.00 174.94 177.48 2be6 s ASP 64 N 1.57 5.15 0.15 3.58 1.47 -1.26 0.31 116.67 127.64 2be6 s ASP 64 Ca 0.05 -0.63 -0.13 0.00 1.18 0.00 0.00 52.55 53.02 2be6 s ASP 64 Cb -0.16 -0.04 0.03 0.00 -0.34 0.00 0.00 42.92 42.41 2be6 s ASP 64 CO 0.03 -1.26 1.63 0.15 0.68 0.00 0.00 175.17 176.40 2be6 h PHE 65 N 0.19 0.90 -1.01 2.11 3.57 -2.00 -2.00 116.94 118.71 2be6 h PHE 65 Ca -0.34 -0.13 0.13 0.00 3.53 0.00 0.00 57.97 61.16 2be6 h PHE 65 Cb 1.28 -0.24 -0.09 0.00 2.79 0.00 0.00 35.95 39.69 2be6 h PHE 65 CO 0.34 0.82 0.63 -1.35 -2.23 0.00 0.00 178.31 176.52 2be6 h PRO 66 N 0.72 0.95 -0.43 6.41 0.11 -1.96 0.19 132.00 137.98 2be6 h PRO 66 Ca 0.15 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.16 2be6 h PRO 66 Cb 0.42 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 2be6 h PRO 66 CO 0.01 0.63 0.08 0.93 -0.21 0.00 0.00 178.00 179.44 2be6 h GLU 67 N 0.98 0.71 -0.31 1.05 5.08 -1.84 -1.67 114.58 118.58 2be6 h GLU 67 Ca 0.51 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2be6 h GLU 67 Cb 0.53 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2be6 h GLU 67 CO -0.28 0.73 0.19 0.35 -1.00 0.00 0.00 179.01 179.00 2be6 h PHE 68 N 0.58 0.41 -0.59 4.33 3.57 -0.93 -2.54 116.94 121.76 2be6 h PHE 68 Ca 0.13 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.64 2be6 h PHE 68 Cb 0.36 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 2be6 h PHE 68 CO 0.02 0.30 0.39 1.25 -2.23 0.00 0.00 178.31 178.04 2be6 h LEU 69 N 0.40 0.66 -0.14 0.59 5.85 -0.61 -0.64 115.31 121.42 2be6 h LEU 69 Ca 0.11 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2be6 h LEU 69 Cb 0.01 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2be6 h LEU 69 CO -0.02 0.48 -0.07 0.74 -0.34 0.00 0.00 178.44 179.23 2be6 h THR 70 N 0.79 0.78 0.11 1.05 2.02 -1.17 0.13 112.91 116.62 2be6 h THR 70 Ca 0.22 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.40 2be6 h THR 70 Cb -0.07 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2be6 h THR 70 CO -0.06 0.00 -0.08 -0.03 0.37 0.00 0.00 175.52 175.72 2be6 h MET 71 N -0.06 -0.19 -0.39 6.66 1.85 -1.29 -2.54 114.93 118.97 2be6 h MET 71 Ca 0.08 0.01 -0.11 0.00 -0.61 0.00 0.00 59.70 59.07 2be6 h MET 71 Cb 0.17 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.23 2be6 h MET 71 CO -0.17 -0.13 -0.22 0.52 -0.40 0.00 0.00 176.91 176.51 2be6 h MET 72 N -0.20 0.77 -0.48 0.39 2.07 -0.84 -1.20 114.93 115.45 2be6 h MET 72 Ca -0.00 -0.31 -0.11 0.00 -2.07 0.00 0.00 59.70 57.21 2be6 h MET 72 Cb 0.18 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 29.85 2be6 h MET 72 CO -0.00 0.92 -0.12 0.00 1.07 0.00 0.00 176.91 178.77 2be6 h ALA 73 N 1.08 0.88 -0.07 6.32 0.00 -0.77 -1.70 119.26 124.99 2be6 h ALA 73 Ca 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2be6 h ALA 73 Cb 0.73 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2be6 h ALA 73 CO 0.06 0.64 0.02 -0.09 0.00 0.00 0.00 179.25 179.87 2be6 h ARG 74 N 0.80 0.12 -0.73 0.00 2.43 -1.24 -2.97 114.38 112.79 2be6 h ARG 74 Ca 0.13 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2be6 h ARG 74 Cb 0.65 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2be6 h ARG 74 CO 0.05 0.32 0.40 -0.22 -1.51 0.00 0.00 179.97 179.01 2be6 h LYS 75 N -0.10 1.02 -0.61 0.20 1.63 -1.12 -2.22 116.57 115.36 2be6 h LYS 75 Ca 0.02 -0.12 0.12 0.00 -0.85 0.00 0.00 60.65 59.82 2be6 h LYS 75 Cb 0.26 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 2be6 h LYS 75 CO 0.00 0.76 0.41 1.98 -3.45 0.00 0.00 179.45 179.16 2be6 h MET 76 N 1.01 0.33 0.00 1.90 4.05 -1.31 0.20 114.93 121.11 2be6 h MET 76 Ca 0.26 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.65 2be6 h MET 76 Cb 0.04 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.76 2be6 h MET 76 CO -0.04 0.22 -0.04 0.87 0.23 0.00 0.00 176.91 178.15 2be6 h LYS 77 N 0.34 0.00 0.00 0.39 6.56 -1.24 -3.51 116.57 119.11 2be6 h LYS 77 Ca 0.29 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.88 2be6 h LYS 77 Cb 0.67 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.33 2be6 h LYS 77 CO -0.07 0.04 0.00 -0.25 -2.06 0.00 0.00 179.45 177.11 2be6 n ASP 78 N -3.14 0.00 0.00 0.86 9.92 0.69 -5.13 116.55 119.76 2be6 n ASP 78 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 2be6 n ASP 78 Cb 0.39 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.87 2be6 n ASP 78 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2be6 n GLU 82 N 0.00 0.00 0.17 -1.24 1.02 -1.26 -5.14 120.64 114.19 2be6 n GLU 82 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 2be6 n GLU 82 Cb 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 31.66 2be6 n GLU 82 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2be6 h GLU 83 N 0.00 0.00 -0.07 3.49 -0.00 -2.05 -2.77 114.58 113.19 2be6 h GLU 83 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.32 2be6 h GLU 83 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 2be6 h GLU 83 CO 0.00 0.00 -0.13 0.93 -0.00 0.00 0.00 179.01 179.81 2be6 h GLU 84 N 0.00 0.21 -0.41 1.06 3.07 -2.05 0.17 114.58 116.64 2be6 h GLU 84 Ca 0.00 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.36 58.64 2be6 h GLU 84 Cb 0.90 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.81 2be6 h GLU 84 CO 0.00 0.72 -0.10 0.82 -1.40 0.00 0.00 179.01 179.05 2be6 h ILE 85 N -0.26 1.25 -0.47 3.13 2.04 -1.99 0.05 117.51 121.25 2be6 h ILE 85 Ca 0.00 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 2be6 h ILE 85 Cb 0.70 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2be6 h ILE 85 CO 0.03 0.38 0.24 -0.09 0.00 0.00 0.00 178.15 178.70 2be6 h ARG 86 N 0.65 0.68 -0.82 2.37 9.65 -1.47 0.28 114.38 125.72 2be6 h ARG 86 Ca 0.11 -0.10 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 2be6 h ARG 86 Cb 0.55 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 28.96 2be6 h ARG 86 CO 0.03 0.56 0.53 0.93 2.80 0.00 0.00 179.97 184.82 2be6 h GLU 87 N 0.62 1.01 -0.34 0.20 3.07 -0.28 -1.52 114.58 117.34 2be6 h GLU 87 Ca 0.16 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.84 2be6 h GLU 87 Cb 0.10 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 2be6 h GLU 87 CO -0.02 0.67 -0.27 0.00 -1.40 0.00 0.00 179.01 177.98 2be6 h ALA 88 N 1.33 0.49 -0.92 3.43 0.00 -0.48 -2.93 119.26 120.18 2be6 h ALA 88 Ca 0.32 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2be6 h ALA 88 Cb -0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2be6 h ALA 88 CO -0.10 0.51 0.61 0.35 0.00 0.00 0.00 179.25 180.61 2be6 h PHE 89 N 0.57 1.15 0.00 0.00 3.57 -0.26 -2.19 116.94 119.77 2be6 h PHE 89 Ca 0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 2be6 h PHE 89 Cb 0.84 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 2be6 h PHE 89 CO 0.07 0.69 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.73 2be6 h ARG 90 N 1.21 0.00 -0.16 1.11 2.43 -1.18 0.24 114.38 118.03 2be6 h ARG 90 Ca 0.35 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.37 2be6 h ARG 90 Cb -0.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2be6 h ARG 90 CO -0.09 0.02 -0.55 0.28 -1.51 0.00 0.00 179.97 178.12 2be6 h VAL 91 N 0.00 1.33 0.11 0.20 2.07 -1.22 -3.32 116.25 115.43 2be6 h VAL 91 Ca -0.00 -1.81 -0.18 0.00 0.82 0.00 0.00 66.70 65.53 2be6 h VAL 91 Cb 0.03 1.80 0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2be6 h VAL 91 CO 0.00 0.56 -0.84 -0.26 0.02 0.00 0.00 177.57 177.05 2be6 h PHE 92 N 0.37 0.43 -1.21 1.57 -1.00 -1.16 -3.41 116.94 112.53 2be6 h PHE 92 Ca 0.01 -0.32 -0.75 0.00 2.81 0.00 0.00 57.97 59.72 2be6 h PHE 92 Cb 1.07 -0.02 -0.14 0.00 3.61 0.00 0.00 35.95 40.48 2be6 h PHE 92 CO 0.04 1.32 2.15 -3.47 -1.61 0.00 0.00 178.31 176.75 2be6 n ASP 93 N -4.16 4.91 -0.27 2.17 2.03 0.76 -4.62 116.55 117.38 2be6 n ASP 93 Ca -0.16 -3.06 0.07 0.00 0.52 0.00 0.00 54.79 52.16 2be6 n ASP 93 Cb 0.79 -1.52 0.21 0.00 -0.72 0.00 0.00 41.12 39.88 2be6 n ASP 93 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2be6 h LYS 94 N 5.91 0.38 -0.01 -0.67 3.64 -1.79 -0.45 116.57 123.58 2be6 h LYS 94 Ca 0.42 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 2be6 h LYS 94 Cb 0.65 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2be6 h LYS 94 CO 1.64 0.25 -0.13 -0.40 -2.27 0.00 0.00 179.45 178.55 2be6 n ASP 95 N -5.05 1.14 -2.21 4.20 5.68 -1.26 -4.96 116.55 114.10 2be6 n ASP 95 Ca 0.16 -1.12 -0.17 0.00 -0.50 0.00 0.00 54.79 53.15 2be6 n ASP 95 Cb 0.47 0.05 0.01 0.00 -1.14 0.00 0.00 41.12 40.52 2be6 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2be6 n GLY 96 N 1.25 -0.31 0.20 6.12 0.00 -0.18 -4.92 105.19 107.36 2be6 n GLY 96 Ca 0.16 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.20 2be6 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2be6 n ASN 97 N -1.46 0.87 0.00 1.61 6.94 -1.26 -4.93 115.26 117.03 2be6 n ASN 97 Ca -0.14 -0.77 0.00 0.00 -0.02 0.00 0.00 54.58 53.64 2be6 n ASN 97 Cb 0.62 0.09 0.00 0.00 -2.36 0.00 0.00 39.78 38.13 2be6 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2be6 n GLY 98 N 1.34 0.49 3.03 4.83 0.00 -1.26 -5.06 105.19 108.55 2be6 n GLY 98 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2be6 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2be6 s TYR 99 N -2.17 1.28 -0.23 1.61 1.51 -1.26 -3.30 117.35 114.79 2be6 s TYR 99 Ca 0.00 -0.40 -0.19 0.00 -1.01 0.00 0.00 57.07 55.47 2be6 s TYR 99 Cb 0.00 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.89 2be6 s TYR 99 CO 0.00 -0.19 0.54 0.42 -1.11 0.00 0.00 175.55 175.21 2be6 s ILE 100 N 0.43 5.07 0.62 2.71 1.01 0.55 -4.83 121.20 126.75 2be6 s ILE 100 Ca -0.09 0.96 -0.01 0.00 0.00 0.00 0.00 60.65 61.51 2be6 s ILE 100 Cb -0.13 -3.86 0.05 0.00 0.01 0.00 0.00 42.46 38.54 2be6 s ILE 100 CO 0.02 0.11 0.87 -0.94 0.00 0.00 0.00 174.94 175.00 2be6 s SER 101 N 1.37 5.01 0.18 3.58 1.04 -1.26 -1.10 113.70 122.53 2be6 s SER 101 Ca 0.23 0.08 -0.13 0.00 0.48 0.00 0.00 55.95 56.61 2be6 s SER 101 Cb -0.16 -0.83 0.08 0.00 0.10 0.00 0.00 66.02 65.22 2be6 s SER 101 CO 0.09 -1.37 1.81 0.00 0.98 0.00 0.00 173.24 174.75 2be6 h ALA 102 N -0.21 0.74 -0.35 5.32 0.00 -1.96 -1.27 119.26 121.53 2be6 h ALA 102 Ca -0.42 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2be6 h ALA 102 Cb 1.30 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2be6 h ALA 102 CO 0.53 0.23 -0.02 0.00 0.00 0.00 0.00 179.25 179.99 2be6 h ALA 103 N 1.17 1.32 -0.22 0.00 0.00 -1.99 -0.19 119.26 119.35 2be6 h ALA 103 Ca 0.21 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2be6 h ALA 103 Cb -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2be6 h ALA 103 CO -0.04 0.46 -0.59 0.93 0.00 0.00 0.00 179.25 180.02 2be6 h GLU 104 N 0.52 0.71 -0.64 0.00 5.08 -1.78 -0.58 114.58 117.90 2be6 h GLU 104 Ca 0.11 -0.47 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 2be6 h GLU 104 Cb 0.37 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2be6 h GLU 104 CO 0.01 1.09 0.29 1.25 -1.00 0.00 0.00 179.01 180.66 2be6 h LEU 105 N 0.53 0.84 -0.71 1.33 5.85 -0.95 -2.17 115.31 120.04 2be6 h LEU 105 Ca 0.00 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 2be6 h LEU 105 Cb 1.17 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 2be6 h LEU 105 CO 0.12 0.75 0.25 0.03 -0.34 0.00 0.00 178.44 179.25 2be6 h ARG 106 N 0.88 1.08 -0.51 1.25 3.08 -0.83 -1.53 114.38 117.80 2be6 h ARG 106 Ca 0.22 -0.22 0.08 0.00 0.07 0.00 0.00 59.98 60.13 2be6 h ARG 106 Cb 0.14 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 2be6 h ARG 106 CO -0.02 0.91 0.13 1.25 -1.07 0.00 0.00 179.97 181.17 2be6 h HIS 107 N 1.03 0.22 0.06 3.04 2.76 -0.87 0.27 115.15 121.66 2be6 h HIS 107 Ca 0.23 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.43 2be6 h HIS 107 Cb 0.26 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.20 2be6 h HIS 107 CO 0.02 0.03 -0.03 0.28 -1.30 0.00 0.00 177.93 176.93 2be6 h VAL 108 N 0.28 1.06 -0.32 5.26 2.07 -1.07 -0.52 116.25 123.01 2be6 h VAL 108 Ca 0.25 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.41 2be6 h VAL 108 Cb 0.32 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2be6 h VAL 108 CO -0.30 0.10 0.10 0.24 0.02 0.00 0.00 177.57 177.73 2be6 h MET 109 N -0.26 0.23 -0.54 1.57 2.07 -0.92 0.13 114.93 117.22 2be6 h MET 109 Ca -0.01 -0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.57 2be6 h MET 109 Cb 0.23 -0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 29.88 2be6 h MET 109 CO 0.01 0.15 0.17 1.79 1.07 0.00 0.00 176.91 180.10 2be6 h THR 110 N 0.23 1.21 -0.38 2.22 1.35 -0.36 0.16 112.91 117.34 2be6 h THR 110 Ca 0.15 -0.72 -0.15 0.00 -0.55 0.00 0.00 66.41 65.14 2be6 h THR 110 Cb 0.13 0.62 -0.01 0.00 -1.73 0.00 0.00 68.15 67.16 2be6 h THR 110 CO -0.16 0.27 -0.35 0.78 -0.25 0.00 0.00 175.52 175.81 2be6 h ASN 111 N 0.78 0.93 0.86 5.36 -0.26 -0.61 -2.83 115.58 119.83 2be6 h ASN 111 Ca 0.18 -0.41 0.00 0.00 -0.56 0.00 0.00 56.30 55.51 2be6 h ASN 111 Cb 0.23 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 2be6 h ASN 111 CO -0.01 1.19 0.00 0.18 -1.06 0.00 0.00 177.43 177.73 2be6 n LEU 112 N -4.06 0.46 0.00 1.61 4.32 0.42 -4.75 117.00 115.00 2be6 n LEU 112 Ca -0.02 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.56 2be6 n LEU 112 Cb 0.52 -0.49 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 2be6 n LEU 112 CO 0.48 -0.34 0.00 0.61 -1.22 0.00 0.00 177.39 176.92 2be6 n GLY 113 N 0.45 0.46 3.75 -0.72 0.00 0.33 -5.03 105.19 104.43 2be6 n GLY 113 Ca 0.04 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 2be6 n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2be6 s GLU 114 N -1.73 4.59 0.23 1.61 2.56 0.16 -4.99 118.70 121.12 2be6 s GLU 114 Ca 0.00 1.21 -0.31 0.00 0.00 0.00 0.00 54.97 55.87 2be6 s GLU 114 Cb 0.00 -3.33 -0.11 0.00 2.00 0.00 0.00 34.13 32.69 2be6 s GLU 114 CO 0.00 0.37 1.55 -1.59 -0.56 0.00 0.00 175.26 175.02 2be6 s LYS 115 N -0.43 4.20 0.08 4.30 -2.85 -1.26 -4.43 119.74 119.34 2be6 s LYS 115 Ca 0.40 2.41 0.04 0.00 -1.00 0.00 0.00 55.97 57.82 2be6 s LYS 115 Cb -0.22 -3.10 -0.03 0.00 -2.06 0.00 0.00 37.83 32.41 2be6 s LYS 115 CO 0.26 -0.56 -0.11 -0.48 0.10 0.00 0.00 175.35 174.55 2be6 s LEU 116 N 0.27 2.34 0.21 2.77 0.05 -1.26 -5.08 118.68 117.98 2be6 s LEU 116 Ca 0.65 -0.70 0.03 0.00 0.05 0.00 0.00 54.13 54.16 2be6 s LEU 116 Cb -0.45 -0.36 -0.05 0.00 -2.05 0.00 0.00 46.19 43.29 2be6 s LEU 116 CO 0.39 -0.19 -0.00 0.42 -0.55 0.00 0.00 176.35 176.42 2be6 s THR 117 N -1.86 0.90 0.21 5.48 -4.23 -1.26 -5.05 115.64 109.83 2be6 s THR 117 Ca 0.00 -2.02 -0.06 0.00 -1.18 0.00 0.00 61.69 58.43 2be6 s THR 117 Cb -0.07 -2.27 0.07 0.00 1.34 0.00 0.00 72.50 71.58 2be6 s THR 117 CO 0.01 -0.37 1.67 0.44 -0.54 0.00 0.00 174.62 175.82 2be6 h ASP 118 N 2.55 0.93 -0.54 3.99 3.32 -2.01 -2.78 116.42 121.88 2be6 h ASP 118 Ca -0.38 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.38 2be6 h ASP 118 Cb 1.22 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 2be6 h ASP 118 CO 0.64 1.02 0.26 -0.33 -1.72 0.00 0.00 179.24 179.10 2be6 h GLU 119 N 0.86 0.77 0.00 3.56 3.07 -1.99 -0.89 114.58 119.97 2be6 h GLU 119 Ca 0.15 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.36 58.78 2be6 h GLU 119 Cb 0.57 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 2be6 h GLU 119 CO 0.03 0.64 -0.53 1.05 -1.40 0.00 0.00 179.01 178.80 2be6 h GLU 120 N 0.72 0.00 -0.31 2.33 4.11 -1.96 -2.17 114.58 117.30 2be6 h GLU 120 Ca 0.18 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.48 2be6 h GLU 120 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2be6 h GLU 120 CO -0.02 0.53 -0.33 0.28 0.07 0.00 0.00 179.01 179.54 2be6 h VAL 121 N 0.00 1.29 -0.59 -1.06 2.07 -1.29 -2.00 116.25 114.67 2be6 h VAL 121 Ca -0.01 -1.50 0.04 0.00 0.82 0.00 0.00 66.70 66.06 2be6 h VAL 121 Cb 1.04 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 2be6 h VAL 121 CO 0.07 0.49 0.33 0.44 0.02 0.00 0.00 177.57 178.92 2be6 h ASP 122 N 0.53 0.50 0.35 0.57 3.32 -0.99 -0.62 116.42 120.08 2be6 h ASP 122 Ca 0.05 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 2be6 h ASP 122 Cb 0.91 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 2be6 h ASP 122 CO 0.08 0.34 -0.59 1.05 -1.72 0.00 0.00 179.24 178.40 2be6 h GLU 123 N 0.63 0.24 0.34 3.56 4.11 -1.41 0.26 114.58 122.32 2be6 h GLU 123 Ca 0.26 -0.16 -0.00 0.00 0.07 0.00 0.00 59.36 59.52 2be6 h GLU 123 Cb 0.12 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2be6 h GLU 123 CO -0.15 0.76 -0.42 0.52 0.07 0.00 0.00 179.01 179.79 2be6 h MET 124 N 0.18 -0.77 -0.01 1.06 2.86 -0.92 -2.15 114.93 115.17 2be6 h MET 124 Ca -0.00 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2be6 h MET 124 Cb 1.09 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 2be6 h MET 124 CO 0.09 -0.52 0.00 0.82 1.06 0.00 0.00 176.91 178.37 2be6 h ILE 125 N -0.80 1.14 -0.98 -1.22 2.04 -1.03 -2.75 117.51 113.91 2be6 h ILE 125 Ca -0.02 -0.42 0.25 0.00 1.00 0.00 0.00 64.86 65.67 2be6 h ILE 125 Cb 0.74 1.40 -0.13 0.00 -0.74 0.00 0.00 36.82 38.09 2be6 h ILE 125 CO -0.11 0.11 0.55 -0.09 0.00 0.00 0.00 178.15 178.61 2be6 h ARG 126 N -0.16 0.49 0.04 2.37 2.43 -0.49 0.29 114.38 119.35 2be6 h ARG 126 Ca 0.00 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 58.94 2be6 h ARG 126 Cb 0.18 -0.11 0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2be6 h ARG 126 CO -0.00 0.32 -0.82 1.05 -1.51 0.00 0.00 179.97 179.02 2be6 h GLU 127 N 0.50 0.48 0.00 0.20 4.11 -1.23 -3.32 114.58 115.33 2be6 h GLU 127 Ca 0.64 -0.57 -0.13 0.00 0.07 0.00 0.00 59.36 59.36 2be6 h GLU 127 Cb 1.26 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 2be6 h GLU 127 CO -0.51 1.21 -0.64 0.00 0.07 0.00 0.00 179.01 179.14 2be6 h ALA 128 N 0.30 0.69 -1.17 1.06 0.00 -1.06 -3.43 119.26 115.65 2be6 h ALA 128 Ca -0.11 -0.58 -0.52 0.00 0.00 0.00 0.00 54.91 53.70 2be6 h ALA 128 Cb 1.53 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 2be6 h ALA 128 CO 0.16 0.80 1.22 0.34 0.00 0.00 0.00 179.25 181.77 2be6 s ASP 129 N -6.58 6.03 -0.07 0.00 3.68 0.96 -4.81 116.67 115.88 2be6 s ASP 129 Ca 0.01 -0.81 -0.25 0.00 2.13 0.00 0.00 52.55 53.64 2be6 s ASP 129 Cb 0.10 -2.56 -0.27 0.00 -1.45 0.00 0.00 42.92 38.73 2be6 s ASP 129 CO 0.76 -1.91 0.90 0.40 0.13 0.00 0.00 175.17 175.44 2be6 h ILE 130 N 6.65 1.61 0.00 4.11 2.04 -1.88 -3.31 117.51 126.72 2be6 h ILE 130 Ca -0.02 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.53 2be6 h ILE 130 Cb 1.04 3.13 0.00 0.00 -0.74 0.00 0.00 36.82 40.25 2be6 h ILE 130 CO 1.32 0.63 0.00 -0.90 0.00 0.00 0.00 178.15 179.21 2be6 n ASP 131 N -4.37 0.00 -0.83 1.72 5.68 -1.26 -4.92 116.55 112.57 2be6 n ASP 131 Ca -0.11 -0.17 -0.09 0.00 -0.50 0.00 0.00 54.79 53.92 2be6 n ASP 131 Cb 0.63 -0.24 -0.02 0.00 -1.14 0.00 0.00 41.12 40.35 2be6 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2be6 n GLY 132 N 0.77 0.58 0.22 6.12 0.00 -1.25 -4.93 105.19 106.69 2be6 n GLY 132 Ca 0.13 -0.58 0.14 0.00 0.00 0.00 0.00 46.02 45.71 2be6 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2be6 n ASP 133 N 0.46 0.76 0.00 1.61 3.85 -1.26 -4.93 116.55 117.04 2be6 n ASP 133 Ca -0.10 -0.98 0.00 0.00 -0.71 0.00 0.00 54.79 53.00 2be6 n ASP 133 Cb 0.42 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.18 2be6 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2be6 n GLY 134 N 1.20 0.78 3.28 6.12 0.00 -1.26 -5.04 105.19 110.27 2be6 n GLY 134 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 2be6 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2be6 s GLN 135 N -0.32 1.37 -0.32 1.61 -0.21 -1.26 -4.69 119.66 115.84 2be6 s GLN 135 Ca 0.00 -1.74 -0.06 0.00 0.02 0.00 0.00 55.36 53.58 2be6 s GLN 135 Cb 0.00 -0.09 0.03 0.00 1.00 0.00 0.00 33.01 33.96 2be6 s GLN 135 CO 0.00 -0.34 0.08 0.08 -2.12 0.00 0.00 175.29 172.99 2be6 s VAL 136 N -3.86 3.71 0.89 1.09 1.01 -0.26 -4.70 120.40 118.29 2be6 s VAL 136 Ca 0.38 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 2be6 s VAL 136 Cb 0.07 -3.04 0.16 0.00 0.00 0.00 0.00 36.38 33.57 2be6 s VAL 136 CO 0.14 -0.08 1.24 0.54 0.00 0.00 0.00 175.10 176.94 2be6 s ASN 137 N 1.41 3.66 0.20 3.32 2.20 -1.26 -0.33 114.94 124.14 2be6 s ASN 137 Ca -0.01 0.36 -0.10 0.00 -0.94 0.00 0.00 52.86 52.17 2be6 s ASN 137 Cb -0.19 -0.58 0.25 0.00 -2.00 0.00 0.00 41.25 38.74 2be6 s ASN 137 CO 0.02 -2.39 1.75 0.22 -2.94 0.00 0.00 177.10 173.76 2be6 h TYR 138 N -1.35 0.40 -0.60 1.54 5.03 -1.99 0.17 116.97 120.18 2be6 h TYR 138 Ca -0.44 0.03 0.02 0.00 2.58 0.00 0.00 58.73 60.92 2be6 h TYR 138 Cb 1.27 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 39.42 2be6 h TYR 138 CO -0.63 0.12 0.37 0.93 -1.32 0.00 0.00 178.16 177.64 2be6 h GLU 139 N 0.42 0.72 -0.15 1.82 5.08 -1.93 -2.14 114.58 118.40 2be6 h GLU 139 Ca 0.29 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.42 2be6 h GLU 139 Cb 0.34 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2be6 h GLU 139 CO -0.28 0.48 -0.69 0.93 -1.00 0.00 0.00 179.01 178.44 2be6 h GLU 140 N 0.74 0.62 -0.49 2.33 5.08 -1.79 -3.24 114.58 117.83 2be6 h GLU 140 Ca 0.24 -0.47 0.07 0.00 -1.00 0.00 0.00 59.36 58.20 2be6 h GLU 140 Cb 0.00 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 2be6 h GLU 140 CO -0.09 1.09 0.16 0.35 -1.00 0.00 0.00 179.01 179.52 2be6 h PHE 141 N 0.44 0.27 -0.37 4.33 3.04 -0.57 -1.56 116.94 122.51 2be6 h PHE 141 Ca -0.03 0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.02 2be6 h PHE 141 Cb 1.29 -0.05 -0.07 0.00 2.56 0.00 0.00 35.95 39.68 2be6 h PHE 141 CO 0.06 0.07 -0.09 0.28 -2.02 0.00 0.00 178.31 176.62 2be6 h VAL 142 N 0.32 0.63 -0.37 1.41 2.07 -1.42 0.23 116.25 119.12 2be6 h VAL 142 Ca 0.24 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 2be6 h VAL 142 Cb 0.26 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2be6 h VAL 142 CO -0.26 0.00 0.24 1.56 0.02 0.00 0.00 177.57 179.14 2be6 h GLN 143 N 0.00 0.49 -0.82 1.57 7.50 -1.56 -1.35 115.11 120.94 2be6 h GLN 143 Ca 0.18 -0.03 0.15 0.00 0.50 0.00 0.00 58.65 59.45 2be6 h GLN 143 Cb 0.27 -0.11 -0.06 0.00 0.05 0.00 0.00 27.48 27.63 2be6 h GLN 143 CO -0.38 0.33 0.54 1.98 -1.50 0.00 0.00 178.83 179.80 2be6 h MET 144 N 0.50 0.53 -0.78 1.46 4.05 -0.21 -0.01 114.93 120.46 2be6 h MET 144 Ca 0.13 -0.03 -0.35 0.00 -0.28 0.00 0.00 59.70 59.18 2be6 h MET 144 Cb -0.05 -0.12 -0.21 0.00 -0.80 0.00 0.00 31.60 30.42 2be6 h MET 144 CO -0.03 0.35 0.38 -0.12 0.23 0.00 0.00 176.91 177.73 2be6 n MET 145 N -4.52 2.67 0.00 0.39 1.56 0.69 -5.09 117.12 112.82 2be6 n MET 145 Ca 0.16 -3.06 0.00 0.00 -0.27 0.00 0.00 57.70 54.53 2be6 n MET 145 Cb 0.50 -2.12 0.00 0.00 2.15 0.00 0.00 33.22 33.76 2be6 n MET 145 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65